6OD
Summary
| Name: | (2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid |
| Formula: | C6 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 141.125 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid |
| OpenEye OEToolkits | 1.7.6 | (2E,4E)-2-azanyl-6-oxidanylidene-hexa-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=C\C=C\C=O)/N |
| InChI | InChI | 1.03 | InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1+,5-3+ |
| InChIKey | InChI | 1.03 | QCGTZPZKJPTAEP-NRNIAZNESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=C/C=C/C=O)/C(O)=O |
| SMILES | CACTVS | 3.370 | NC(=CC=CC=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=C/C=O)\C=C(/C(=O)O)\N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=CC=O)C=C(C(=O)O)N |
